8QC6

Crystal Structure of NAD-dependent glycoside hydrolase from Arthrobacter sp. U41 in complex with NAD+ and sulfoquinovose (SQ)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-22
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	56.561, 73.017, 199.502
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.810 - 2.400
R-factor	0.18848
Rwork	0.186
R-free	0.24385
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.362
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.920	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.277	1.150
Rmeas	0.288	1.201
Rpim	0.079	0.338
Total number of observations	437041	40866
Number of reflections	33269	3423
<I/σ(I)>	6.6	2.1
Completeness [%]	99.9
Redundancy	13.1	11.9
CC(1/2)	0.989	0.723

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	25% PEG1500